[CP2K-user] [CP2K:21380] Smearing problems and insufficient orbitals in optimization.

[Anirudh Natarajan]

I am currently attempting to run a cell optimization for a Ni based system, 
and have used 0.1 smearing and added_mos = -1 but it says insufficient MOs, 
and I have tried multiple values of MOs manually. Can someone help me in 
this regard, thanks in advance.  I have also attached the input file. 



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                                    Kpoints
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 BRILLOUIN|                                              Gamma-point 
calculation
 BRILLOUIN| K-Point point group symmetrization                             
  OFF
 BRILLOUIN| Wavefunction type                                           
 COMPLEX
 BRILLOUIN| Use full k-point grid
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 **                                                ... make the atoms dance 
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 **            Copyright (C) by CP2K developers group (2000-2024)           
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 **                      J. Chem. Phys. 152, 194103 (2020)                 
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 *** WARNING in qs_environment.F:1564 :: Kpoints: Different number of MOs   
***
 *** requested. The number of beta MOs will be set to the number alpha MOs. 
***


 *******************************************************************************
 *   ___                                                                   
    *
 *  /   \                                                                   
   *
 * [ABORT]                                                                 
    *
 *  \___/             Extra MOs (ADDED_MOS) are required for smearing       
   *
 *    |                                                                     
   *
 *  O/|                                                                     
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 * /| |                                                                     
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 * / \                                                   
qs_environment.F:1575 *
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 ===== Routine Calling Stack =====

            2 qs_init_subsys
            1 CP2K

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